SCHEMBL8115013

SCHEMBL8115013

CCCOc1cccc2c(=O)cc(C(=O)OCC)oc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
AKR1B1 P15121 1/20 0.50
GPR35 Q9HC97 3/20 0.48
SLC2A1 P11166 1/20 0.46
NMT2 O60551 2/20 0.45
NMT1 P30419 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.45
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2A6 P11509 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TNKS O95271 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8116780 0.91 AKR1B1 (0.53) MAOBAKR1B1GPR35SLC2A1NMT2
SCHEMBL8123931 0.89 GPR35 (0.52) MAOBGPR35LOXL2CNR2CYP2A6
SCHEMBL11533313 0.87 MAOB (0.48) MAOBAKR1B1GPR35SLC2A1NMT2
SCHEMBL7553333 0.86 AKR1B1 (0.53) MAOBAKR1B1GPR35SLC2A1TP53
SCHEMBL8113760 0.85 GPR35 (0.50) MAOBGPR35LOXL2CNR2CYP2A6
SCHEMBL8106509 0.82 AKR1B1 (0.56) MAOBAKR1B1GPR35SLC2A1TP53
SCHEMBL8117084 0.81 GPR35 (0.47) MAOBGPR35LOXL2TP53THRB
SCHEMBL7633152 0.81 AKR1B1 (0.59) MAOBAKR1B1GPR35SLC2A1LOXL2
SCHEMBL22617428 0.81 MAOB (0.61) MAOBAKR1B1GPR35SLC2A1TP53
SCHEMBL8827768 0.81 AKR1B1 (0.55) MAOBAKR1B1GPR35SLC2A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed